Chemical Properties of Indene (CAS 95-13-6)

Indene

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InChI
InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
InChI Key
YBYIRNPNPLQARY-UHFFFAOYSA-N
Formula
C9H8
SMILES
C1=Cc2ccccc2C1
Molecular Weight1
116.16
CAS
95-13-6
Other Names
  • 1H-Indene
  • INDEN
  • INDONAPHTHENE
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Physical Properties

Property Value Unit Source
ω 0.2620 KDB
PAff [848.50; 848.80] kJ/mol Show Hide
PAff 848.80 kJ/mol NIST
PAff 848.50 kJ/mol NIST
BasG [819.20; 819.60] kJ/mol Show Hide
BasG 819.60 kJ/mol NIST
BasG 819.20 kJ/mol NIST
Δcliquid -4795.50 ± 1.30 kJ/mol NIST
EA 0.17 ± 0.03 eV NIST
Δf 226.10 kJ/mol Joback Calculated Property
Δfgas 161.20 ± 2.30 kJ/mol NIST
Δfliquid [110.00; 110.60] kJ/mol Show Hide
Δfliquid 110.60 ± 1.80 kJ/mol NIST
Δfliquid 110.00 ± 1.00 kJ/mol NIST
Δfus 11.00 kJ/mol Joback Calculated Property
Δvap 50.60 ± 1.50 kJ/mol NIST
IE [8.13; 8.62] eV Show Hide
IE 8.14 ± 0.01 eV NIST
IE 8.33 ± 0.01 eV NIST
IE 8.14 ± 0.01 eV NIST
IE Outlier 8.62 eV NIST
IE 8.13 ± 0.05 eV NIST
IE 8.15 ± 0.01 eV NIST
log10WS -2.57 Crippen Calculated Property
logPoct/wat 2.256 Crippen Calculated Property
McVol 98.750 ml/mol McGowan Calculated Property
Pc 3800.00 kPa KDB
Inp [168.80; 1072.50]   Show Hide
Inp 1059.00 NIST
Inp 1052.00 NIST
Inp 1059.00 NIST
Inp 1036.00 NIST
Inp 1015.00 NIST
Inp 1016.00 NIST
Inp 1034.00 NIST
Inp 1034.00 NIST
Inp 1031.00 NIST
Inp 1034.00 NIST
Inp 1031.00 NIST
Inp 1035.00 NIST
Inp 1026.00 NIST
Inp 1018.00 NIST
Inp 1013.00 NIST
Inp 1023.30 NIST
Inp 1059.00 NIST
Inp 1049.00 NIST
Inp 1059.00 NIST
Inp 1023.00 NIST
Inp 1011.80 NIST
Inp 1015.70 NIST
Inp 1034.10 NIST
Inp 1043.30 NIST
Inp 1053.80 NIST
Inp 1021.00 NIST
Inp 1011.80 NIST
Inp 1015.70 NIST
Inp 1016.90 NIST
Inp 1016.90 NIST
Inp 1017.00 NIST
Inp 1017.50 NIST
Inp 1060.00 NIST
Inp 1030.00 NIST
Inp 1062.00 NIST
Inp 1026.00 NIST
Inp 1037.00 NIST
Inp 1072.50 NIST
Inp 1069.00 NIST
Inp 1041.00 NIST
Inp 1045.00 NIST
Inp 1054.00 NIST
Inp 1011.00 NIST
Inp 1014.00 NIST
Inp 1036.00 NIST
Inp 1033.00 NIST
Inp 1051.00 NIST
Inp 1049.00 NIST
Inp 1039.00 NIST
Inp 1025.00 NIST
Inp 1024.00 NIST
Inp 1025.00 NIST
Inp 1042.00 NIST
Inp 1036.00 NIST
Inp 1060.00 NIST
Inp 1060.00 NIST
Inp 1041.00 NIST
Inp 1059.00 NIST
Inp 1031.00 NIST
Inp 1037.00 NIST
Inp 1020.00 NIST
Inp 1042.00 NIST
Inp 1045.00 NIST
Inp 1017.00 NIST
Inp 1059.00 NIST
Inp 1062.00 NIST
Inp Outlier 171.05 NIST
Inp Outlier 173.26 NIST
Inp Outlier 172.05 NIST
Inp Outlier 172.51 NIST
Inp Outlier 170.83 NIST
Inp Outlier 169.00 NIST
Inp Outlier 168.80 NIST
Inp Outlier 170.08 NIST
Inp Outlier 169.00 NIST
Inp Outlier 171.05 NIST
Inp 1060.00 NIST
Inp 1059.00 NIST
Inp 1016.00 NIST
Inp 1031.00 NIST
Inp 1023.30 NIST
Inp 1011.80 NIST
Inp 1021.00 NIST
Inp 1017.00 NIST
I [1430.80; 1479.00]   Show Hide
I 1455.80 NIST
I 1430.80 NIST
I 1431.00 NIST
I 1471.00 NIST
I 1466.00 NIST
I 1472.00 NIST
I 1467.00 NIST
I 1479.00 NIST
liquid [214.18; 215.35] J/mol×K Show Hide
liquid 214.18 J/mol×K NIST
liquid 215.35 J/mol×K NIST
Tboil 455.59 K KDB
Tc 695.15 K KDB
Tfus [270.48; 271.40] K Show Hide
Tfus 271.00 K KDB
Tfus 271.40 ± 0.50 K NIST
Tfus 270.48 ± 0.30 K NIST
Ttriple 271.70 ± 0.02 K NIST
Vc 0.368 m3/kmol KDB
Zc 0.2422730 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [185.13; 249.87] J/mol×K [447.55; 677.06] Show Hide
Cp,gas 185.13 J/mol×K 447.55 Joback Calculated Property
Cp,gas 198.30 J/mol×K 485.80 Joback Calculated Property
Cp,gas 210.42 J/mol×K 524.05 Joback Calculated Property
Cp,gas 221.55 J/mol×K 562.31 Joback Calculated Property
Cp,gas 231.79 J/mol×K 600.56 Joback Calculated Property
Cp,gas 241.21 J/mol×K 638.81 Joback Calculated Property
Cp,gas 249.87 J/mol×K 677.06 Joback Calculated Property
Cp,liquid [186.94; 186.94] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 186.94 J/mol×K 298.15 NIST
Cp,liquid 186.94 J/mol×K 298.15 NIST
η [0.0003712; 0.0014072] Pa×s [253.07; 447.55] Show Hide
η 0.0014072 Pa×s 253.07 Joback Calculated Property
η 0.0009934 Pa×s 285.48 Joback Calculated Property
η 0.0007529 Pa×s 317.90 Joback Calculated Property
η 0.0006007 Pa×s 350.31 Joback Calculated Property
η 0.0004979 Pa×s 382.72 Joback Calculated Property
η 0.0004250 Pa×s 415.14 Joback Calculated Property
η 0.0003712 Pa×s 447.55 Joback Calculated Property
ΔfusH [10.20; 10.20] kJ/mol [271.70; 271.70] Show Hide
ΔfusH 10.20 kJ/mol 271.70 NIST
ΔfusH 10.20 kJ/mol 271.70 NIST
ΔfusH 10.20 kJ/mol 271.70 NIST
ΔvapH [43.60; 45.30] kJ/mol [372.00; 413.00] Show Hide
ΔvapH 43.60 kJ/mol 372.00 NIST
ΔvapH 43.90 kJ/mol 391.50 NIST
ΔvapH 45.30 kJ/mol 413.00 NIST
n0 1.57370 298.15 KDB
ρl 998.99 kg/m3 293.10 KDB
ΔfusS 37.55 J/mol×K 271.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [335.62; 481.24] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.67872e+01
Coefficient B-5.48854e+03
Coefficient C-2.97000e+00
Temperature range, min.335.62
Temperature range, max.481.24
Pvap 1.33 kPa 335.62 Calculated Property
Pvap 2.87 kPa 351.80 Calculated Property
Pvap 5.76 kPa 367.98 Calculated Property
Pvap 10.90 kPa 384.16 Calculated Property
Pvap 19.59 kPa 400.34 Calculated Property
Pvap 33.63 kPa 416.52 Calculated Property
Pvap 55.43 kPa 432.70 Calculated Property
Pvap 88.11 kPa 448.88 Calculated Property
Pvap 135.58 kPa 465.06 Calculated Property
Pvap 202.64 kPa 481.24 Calculated Property
Pvap [0.02; 4302.94] kPa [271.70; 693.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.22605e+02
Coefficient B-1.05135e+04
Coefficient C-1.58068e+01
Coefficient D9.00394e-06
Temperature range, min.271.70
Temperature range, max.693.15
Pvap 0.02 kPa 271.70 Calculated Property
Pvap 0.55 kPa 318.53 Calculated Property
Pvap 5.79 kPa 365.36 Calculated Property
Pvap 31.43 kPa 412.18 Calculated Property
Pvap 111.75 kPa 459.01 Calculated Property
Pvap 301.25 kPa 505.84 Calculated Property
Pvap 675.75 kPa 552.67 Calculated Property
Pvap 1342.06 kPa 599.49 Calculated Property
Pvap 2462.68 kPa 646.32 Calculated Property
Pvap 4302.94 kPa 693.15 Calculated Property

Similar Compounds

6-methyl-1H-indene. 1H-Benz[f]indene. 1H-Cyclopent[b]anthracene. 5-ethylindene. 8H-Cyclopenta[b]phenanthrene. 7-methyl-1H-indene. 4-Methylindene. 3H-Benz[e]indene. 17H-Cyclopenta[a]phenanthrene. 1H-Benz[e]indene. 1H-Cyclopent[a]anthracene. 15H-Cyclopenta[a]phenanthrene. 1H-Cyclopenta[a]pyrene. 1,3-diphenylpropene. Benzocycloheptatriene.

Find more compounds similar to Indene.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.